SB29-0133 Screening compound: 3-{(2S,4S)-4-METHOXY-1-[(5-METHYL-2-FURYL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}-5-METHYL-1H-1,2,4-TRIAZOLE

SB29-0133 Screening compound: 3-{(2S,4S)-4-METHOXY-1-[(5-METHYL-2-FURYL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}-5-METHYL-1H-1,2,4-TRIAZOLE
SB29-0133 Screening compound: 3-{(2S,4S)-4-METHOXY-1-[(5-METHYL-2-FURYL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}-5-METHYL-1H-1,2,4-TRIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound SB29-0133
3-{(2S,4S)-4-METHOXY-1-[(5-METHYL-2-FURYL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}-5-METHYL-1H-1,2,4-TRIAZOLE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

SB29-0133

Molecular Formula

C14H20N4O2 (C14 H20 N4 O2)

Compound Name

3-{(2S,4S)-4-METHOXY-1-[(5-METHYL-2-FURYL)METHYL]TETRAHYDRO-1H-PYRROL-2-YL}-5-METHYL-1H-1,2,4-TRIAZOLE

IUPAC name

n/a

SMILES

Cc1ccc(CN(C[C@H](C2)OC)[C@@H]2c2n[nH]c(C)n2)o1

InChI

InChI=1S/C14H20N4O2/c1-9-4-5-11(20-9)7-18-8-12(19-3)6-13(18)14-15-10(2)16-17-14/h4-5,12-13H,6-8H2,1-3H3,(H,15,16,17)/t12-,13+/m1/s1

InChI Key

MVDMWXOCEHTHED-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.488

Distribution Coefficient, logD

1.469

Water Solubility, LogSw

-1.94

Polar Surface Area

51.848

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

SB29-0133 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with SB29-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB29-0133?
Check Price and Availability of SB29-0133, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB29-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB29-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB29-0133
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of SB29-0133 available by request